(2S)-6-amino-2-formamidohexanamide

C7H15N3O2 — CID 25244460

IUPAC(2S)-6-amino-2-formamidohexanamide
SMILESNCCCC[C@H](NC=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1
InChIKeyDKPYGQKMNSGPGT-LURJTMIESA-N
MW173.22 g/mol
LogP-1.28
Rot. Bonds7

About (2S)-6-amino-2-formamidohexanamide

(2S)-6-amino-2-formamidohexanamide (PubChem CID 25244460) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S)-6-amino-2-formamidohexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-formamidohexanamide
PubChem CID25244460
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S)-6-amino-2-formamidohexanamide
SMILESNCCCC[C@H](NC=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1
InChIKeyDKPYGQKMNSGPGT-LURJTMIESA-N
XLogP-1.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.28
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'}

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Related Compounds

(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide
CID 71460434
N-(2-oxoazepan-3-yl)acetamide
CID 14289832
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
CID 10563118
(S)-2-Acetamido-6-aminohexanamide
CID 7021885
N-(2-oxoazepan-3-yl)formamide
CID 19027558
H-Ala-Ala-Ala-Lys-NH2
CID 46229369
(S)-2-(Acetylamino)-6-amino-N-methylhexanamide
CID 111199
(3S)-3-(4-Aminobutyl)piperazine-2,5-dione
CID 45115653
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
CID 54767390
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
CID 54767552
(2s)-2,6-Diacetamido-N-Methyl-Hexanamide
CID 91820722
(S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide
CID 7016879

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-formamidohexanamide?
The IUPAC name of (2S)-6-amino-2-formamidohexanamide (CID 25244460) is (2S)-6-amino-2-formamidohexanamide.
What is the SMILES notation for (2S)-6-amino-2-formamidohexanamide?
The canonical SMILES for (2S)-6-amino-2-formamidohexanamide is NCCCC[C@H](NC=O)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-formamidohexanamide?
The InChIKey is DKPYGQKMNSGPGT-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-formamidohexanamide?
(2S)-6-amino-2-formamidohexanamide has a molecular weight of 173.22 g/mol, XLogP of -1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-formamidohexanamide is sourced from PubChem (CID 25244460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).