(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid

C12H20N2O5 — CID 61187712

IUPAC(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
SMILESCC1CCCCN1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8-4-2-3-7-14(8)12(19)13-9(11(17)18)5-6-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyVHCUJKGUIJBSSL-GKAPJAKFSA-N
MW272.30 g/mol
LogP0.89
Rot. Bonds5

About (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid

(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid (PubChem CID 61187712) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
PubChem CID61187712
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
SMILESCC1CCCCN1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8-4-2-3-7-14(8)12(19)13-9(11(17)18)5-6-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)/t8?,9-/m0/s1
InChIKeyVHCUJKGUIJBSSL-GKAPJAKFSA-N
XLogP0.89
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 114538855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid (CID 61187712) is (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid is CC1CCCCN1C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
The InChIKey is VHCUJKGUIJBSSL-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8-4-2-3-7-14(8)12(19)13-9(11(17)18)5-6-10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid?
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid has a molecular weight of 272.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 61187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).