4-(2-carbamoyloxyethylamino)pentanoic acid

C8H16N2O4 — CID 83209314

IUPAC4-(2-carbamoyloxyethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCCOC(N)=O
InChIInChI=1S/C8H16N2O4/c1-6(2-3-7(11)12)10-4-5-14-8(9)13/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12)
InChIKeyOOJZCZYUOWEULO-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.08
Rot. Bonds7

About 4-(2-carbamoyloxyethylamino)pentanoic acid

4-(2-carbamoyloxyethylamino)pentanoic acid (PubChem CID 83209314) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2-carbamoyloxyethylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-carbamoyloxyethylamino)pentanoic acid
PubChem CID83209314
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name4-(2-carbamoyloxyethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCCOC(N)=O
InChIInChI=1S/C8H16N2O4/c1-6(2-3-7(11)12)10-4-5-14-8(9)13/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12)
InChIKeyOOJZCZYUOWEULO-UHFFFAOYSA-N
XLogP-0.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
(4R)-4-[(4-methoxy-4-oxobutyl)amino]pentanoic acid
CID 87857187
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
4-(2,2-difluoroethylamino)pentanoic acid
CID 115405874
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyloxyethylamino)pentanoic acid?
The IUPAC name of 4-(2-carbamoyloxyethylamino)pentanoic acid (CID 83209314) is 4-(2-carbamoyloxyethylamino)pentanoic acid.
What is the SMILES notation for 4-(2-carbamoyloxyethylamino)pentanoic acid?
The canonical SMILES for 4-(2-carbamoyloxyethylamino)pentanoic acid is CC(CCC(=O)O)NCCOC(N)=O.
What is the InChIKey of 4-(2-carbamoyloxyethylamino)pentanoic acid?
The InChIKey is OOJZCZYUOWEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(2-3-7(11)12)10-4-5-14-8(9)13/h6,10H,2-5H2,1H3,(H2,9,13)(H,11,12).
What are the key properties of 4-(2-carbamoyloxyethylamino)pentanoic acid?
4-(2-carbamoyloxyethylamino)pentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyloxyethylamino)pentanoic acid is sourced from PubChem (CID 83209314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).