5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid

C10H19N3O4 — CID 103103549

IUPAC5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
SMILESCCN(CC(N)=O)C(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-13(7-8(11)14)10(17)12-6-4-3-5-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyRCCDNTDKJDIMLL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.24
Rot. Bonds8

About 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid

5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid (PubChem CID 103103549) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
PubChem CID103103549
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
SMILESCCN(CC(N)=O)C(=O)NCCCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-13(7-8(11)14)10(17)12-6-4-3-5-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyRCCDNTDKJDIMLL-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
CID 103103551
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid?
The IUPAC name of 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid (CID 103103549) is 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid is CCN(CC(N)=O)C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid?
The InChIKey is RCCDNTDKJDIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-13(7-8(11)14)10(17)12-6-4-3-5-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid?
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 103103549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).