(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C12H20N4O5 — CID 107830729

IUPAC(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c13-9(17)5-4-7(11(19)20)15-12(21)16-6-2-1-3-8(16)10(14)18/h7-8H,1-6H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20)/t7-,8?/m1/s1
InChIKeyWLAKUTFVUXQBKH-GVHYBUMESA-N
MW300.32 g/mol
LogP-1.25
Rot. Bonds6

About (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830729) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830729
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c13-9(17)5-4-7(11(19)20)15-12(21)16-6-2-1-3-8(16)10(14)18/h7-8H,1-6H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20)/t7-,8?/m1/s1
InChIKeyWLAKUTFVUXQBKH-GVHYBUMESA-N
XLogP-1.25
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61199399
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2S)-2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-5-amino-5-oxopentanoic acid
CID 82753203
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 107830729) is (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is WLAKUTFVUXQBKH-GVHYBUMESA-N. The full InChI is InChI=1S/C12H20N4O5/c13-9(17)5-4-7(11(19)20)15-12(21)16-6-2-1-3-8(16)10(14)18/h7-8H,1-6H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20)/t7-,8?/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 300.32 g/mol, XLogP of -1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).