(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid

C12H21N3O4 — CID 107830206

IUPAC(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-8-4-2-1-3-7(8)11(17)15-9(12(18)19)5-6-10(14)16/h7-9H,1-6,13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8?,9-/m1/s1
InChIKeyGQSPTMYIRQOGJX-AMDVSUOASA-N
MW271.32 g/mol
LogP-0.66
Rot. Bonds6

About (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830206) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
PubChem CID107830206
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-8-4-2-1-3-7(8)11(17)15-9(12(18)19)5-6-10(14)16/h7-9H,1-6,13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8?,9-/m1/s1
InChIKeyGQSPTMYIRQOGJX-AMDVSUOASA-N
XLogP-0.66
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909206
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid (CID 107830206) is (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)C1CCCCC1N)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GQSPTMYIRQOGJX-AMDVSUOASA-N. The full InChI is InChI=1S/C12H21N3O4/c13-8-4-2-1-3-7(8)11(17)15-9(12(18)19)5-6-10(14)16/h7-9H,1-6,13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.66, 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-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).