(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid

C10H22N4O2 — CID 11390594

IUPAC(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid
SMILESCC(C)(C)C/N=C(\N)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N4O2/c1-10(2,3)6-14-9(12)13-5-4-7(11)8(15)16/h7H,4-6,11H2,1-3H3,(H,15,16)(H3,12,13,14)/t7-/m0/s1
InChIKeyWUMPVYVGXAKGJB-ZETCQYMHSA-N
MW230.31 g/mol
LogP-0.26
Rot. Bonds5

About (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid

(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid (PubChem CID 11390594) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid
PubChem CID11390594
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid
SMILESCC(C)(C)C/N=C(\N)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N4O2/c1-10(2,3)6-14-9(12)13-5-4-7(11)8(15)16/h7H,4-6,11H2,1-3H3,(H,15,16)(H3,12,13,14)/t7-/m0/s1
InChIKeyWUMPVYVGXAKGJB-ZETCQYMHSA-N
XLogP-0.26
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
CID 88580674
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
2-amino-4-[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]butanoic acid
CID 73080078
(2S)-2-amino-4-[[amino(ethylamino)methylidene]amino]butanoic acid
CID 11286925
2-amino-4-[[amino-(2-propan-2-yloxyethylamino)methylidene]amino]butanoic acid
CID 72815086
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
(2S)-2-amino-5-[[amino-(prop-2-ynylamino)methylidene]amino]pentanoic acid
CID 135512453
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
2-amino-4-[[(E)-but-2-enoyl]amino]butanoic acid
CID 129218580
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid (CID 11390594) is (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid is CC(C)(C)C/N=C(\N)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid?
The InChIKey is WUMPVYVGXAKGJB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-10(2,3)6-14-9(12)13-5-4-7(11)8(15)16/h7H,4-6,11H2,1-3H3,(H,15,16)(H3,12,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid?
(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid is sourced from PubChem (CID 11390594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).