(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid

C12H21N3O5 — CID 61196853

IUPAC(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c13-10(17)2-1-9(11(18)19)14-12(20)15-5-3-8(7-16)4-6-15/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)/t9-/m0/s1
InChIKeyWPOBRJKOZPTDJS-VIFPVBQESA-N
MW287.32 g/mol
LogP-0.88
Rot. Bonds6

About (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 61196853) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
PubChem CID61196853
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c13-10(17)2-1-9(11(18)19)14-12(20)15-5-3-8(7-16)4-6-15/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)/t9-/m0/s1
InChIKeyWPOBRJKOZPTDJS-VIFPVBQESA-N
XLogP-0.88
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 61196473
(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830632
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid (CID 61196853) is (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)N1CCC(CO)CC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is WPOBRJKOZPTDJS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O5/c13-10(17)2-1-9(11(18)19)14-12(20)15-5-3-8(7-16)4-6-15/h8-9,16H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61196853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).