2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine

C11H24N4O — CID 118214123

IUPAC2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
SMILESCC(C)C(C)N[C@H](C=O)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-8(2)9(3)15-10(7-16)5-4-6-14-11(12)13/h7-10,15H,4-6H2,1-3H3,(H4,12,13,14)/t9?,10-/m0/s1
InChIKeyKMLDWPYRSIOKRD-AXDSSHIGSA-N
MW228.34 g/mol
LogP0.24
Rot. Bonds8

About 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine

2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine (PubChem CID 118214123) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
PubChem CID118214123
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
SMILESCC(C)C(C)N[C@H](C=O)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-8(2)9(3)15-10(7-16)5-4-6-14-11(12)13/h7-10,15H,4-6H2,1-3H3,(H4,12,13,14)/t9?,10-/m0/s1
InChIKeyKMLDWPYRSIOKRD-AXDSSHIGSA-N
XLogP0.24
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide
CID 173435673
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 89004311
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173209218
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
(2R)-2-acetamido-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[deuterio-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 91039976
(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
CID 159342046
2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
CID 5493487
(2R)-2-acetamido-6-(diaminomethylideneamino)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide
CID 59958587
2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
CID 121434353
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173062657
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 88888692

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine?
The IUPAC name of 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine (CID 118214123) is 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine.
What is the SMILES notation for 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine?
The canonical SMILES for 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine is CC(C)C(C)N[C@H](C=O)CCCN=C(N)N.
What is the InChIKey of 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine?
The InChIKey is KMLDWPYRSIOKRD-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(2)9(3)15-10(7-16)5-4-6-14-11(12)13/h7-10,15H,4-6H2,1-3H3,(H4,12,13,14)/t9?,10-/m0/s1.
What are the key properties of 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine?
2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine is sourced from PubChem (CID 118214123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).