(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide

C6H16N4O — CID 131850934

IUPAC(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
SMILESC[C@H](N)C(=O)NC(CN)CN
InChIInChI=1S/C6H16N4O/c1-4(9)6(11)10-5(2-7)3-8/h4-5H,2-3,7-9H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyFSWCOBYMSSHQCS-BYPYZUCNSA-N
MW160.22 g/mol
LogP-2.26
Rot. Bonds4

About (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide

(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide (PubChem CID 131850934) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
PubChem CID131850934
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
SMILESC[C@H](N)C(=O)NC(CN)CN
InChIInChI=1S/C6H16N4O/c1-4(9)6(11)10-5(2-7)3-8/h4-5H,2-3,7-9H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyFSWCOBYMSSHQCS-BYPYZUCNSA-N
XLogP-2.26
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
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3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
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2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
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(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
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2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide (CID 131850934) is (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide is C[C@H](N)C(=O)NC(CN)CN.
What is the InChIKey of (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide?
The InChIKey is FSWCOBYMSSHQCS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H16N4O/c1-4(9)6(11)10-5(2-7)3-8/h4-5H,2-3,7-9H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide?
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide has a molecular weight of 160.22 g/mol, XLogP of -2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide is sourced from PubChem (CID 131850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).