2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine

C6H14N4O — CID 141342026

IUPAC2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
SMILES[2H]C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/t5-/m0/s1/i4D
InChIKeyQJYRUYURLPTHLR-HHMJLCMQSA-N
MW159.21 g/mol
LogP-1.43
Rot. Bonds5

About 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine

2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine (PubChem CID 141342026) has the molecular formula C6H14N4O and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
PubChem CID141342026
Molecular FormulaC6H14N4O
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
SMILES[2H]C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/t5-/m0/s1/i4D
InChIKeyQJYRUYURLPTHLR-HHMJLCMQSA-N
XLogP-1.43
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-1.43
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'}

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Related Compounds

sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
CID 175474256
2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
CID 159342046
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
[1-amino-4-(diaminomethylideneamino)butyl]boronic acid
CID 3482116
2-(4-amino-4-phosphorosobutyl)guanidine
CID 89493357
2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine
CID 175730846
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine?
The IUPAC name of 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine (CID 141342026) is 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine.
What is the SMILES notation for 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine?
The canonical SMILES for 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine is [2H]C(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine?
The InChIKey is QJYRUYURLPTHLR-HHMJLCMQSA-N. The full InChI is InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/t5-/m0/s1/i4D.
What are the key properties of 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine?
2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine has a molecular weight of 159.21 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine is sourced from PubChem (CID 141342026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).