2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid

C11H19N3O4 — CID 61197830

IUPAC2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCC1CCCC1
InChIInChI=1S/C11H19N3O4/c15-9(12-7-10(16)17)6-14-11(18)13-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyLMMOYDQPUSXUSY-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.32
Rot. Bonds6

About 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 61197830) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID61197830
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCC1CCCC1
InChIInChI=1S/C11H19N3O4/c15-9(12-7-10(16)17)6-14-11(18)13-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyLMMOYDQPUSXUSY-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-[[2-(oxolan-2-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61191456
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide
CID 156598191
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid (CID 61197830) is 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is LMMOYDQPUSXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-9(12-7-10(16)17)6-14-11(18)13-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 61197830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).