(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid

C12H24N4O3 — CID 67154382

IUPAC(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
SMILESCN(C)C1CCN(C(=O)NCC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C12H24N4O3/c1-15(2)9-4-7-16(8-5-9)12(19)14-6-3-10(13)11(17)18/h9-10H,3-8,13H2,1-2H3,(H,14,19)(H,17,18)/t10-/m0/s1
InChIKeyQYLNYDWDSPIUFR-JTQLQIEISA-N
MW272.35 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid

(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 67154382) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID67154382
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
SMILESCN(C)C1CCN(C(=O)NCC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C12H24N4O3/c1-15(2)9-4-7-16(8-5-9)12(19)14-6-3-10(13)11(17)18/h9-10H,3-8,13H2,1-2H3,(H,14,19)(H,17,18)/t10-/m0/s1
InChIKeyQYLNYDWDSPIUFR-JTQLQIEISA-N
XLogP-0.48
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
2-amino-4-(azetidine-1-carbonylamino)butanoic acid
CID 70945804
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid (CID 67154382) is (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid is CN(C)C1CCN(C(=O)NCC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is QYLNYDWDSPIUFR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N4O3/c1-15(2)9-4-7-16(8-5-9)12(19)14-6-3-10(13)11(17)18/h9-10H,3-8,13H2,1-2H3,(H,14,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid?
(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 272.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 67154382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).