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

C11H21N3O3 — CID 78967875

IUPAC(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1CCC(N(C)C)CC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-8(10(15)16)12-11(17)14-6-4-9(5-7-14)13(2)3/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyYGGJAYNVQFXXED-QMMMGPOBSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds3

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

(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 78967875) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID78967875
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1CCC(N(C)C)CC1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-8(10(15)16)12-11(17)14-6-4-9(5-7-14)13(2)3/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyYGGJAYNVQFXXED-QMMMGPOBSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid (CID 78967875) is (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid is C[C@H](NC(=O)N1CCC(N(C)C)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is YGGJAYNVQFXXED-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(10(15)16)12-11(17)14-6-4-9(5-7-14)13(2)3/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid?
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 78967875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).