cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid

C12H21N3O4 — CID 114173693

IUPACcis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c13-10(16)3-1-2-6-14-12(19)15-9-5-4-8(7-9)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-,9+/m1/s1
InChIKeyMKKHYJQBQNAGIE-BDAKNGLRSA-N
MW271.32 g/mol
LogP0.19
Rot. Bonds7

About cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173693) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173693
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Namecis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c13-10(16)3-1-2-6-14-12(19)15-9-5-4-8(7-9)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-,9+/m1/s1
InChIKeyMKKHYJQBQNAGIE-BDAKNGLRSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(6-methylsulfanylhexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320461
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 114173693) is cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid is NC(=O)CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MKKHYJQBQNAGIE-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-10(16)3-1-2-6-14-12(19)15-9-5-4-8(7-9)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).