(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid

C10H19N3O4 — CID 107566228

IUPAC(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCNC(C)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-8(9(15)16)13-10(17)12-6-5-11-7(2)14/h8H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyJCSWVIVXDZCCJL-MRVPVSSYSA-N
MW245.28 g/mol
LogP-0.32
Rot. Bonds7

About (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid

(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid (PubChem CID 107566228) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
PubChem CID107566228
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCNC(C)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-8(9(15)16)13-10(17)12-6-5-11-7(2)14/h8H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyJCSWVIVXDZCCJL-MRVPVSSYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.32
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

(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 107566702
(2R)-2-(3-methylsulfanylpropylcarbamoylamino)pentanoic acid
CID 107567041
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid (CID 107566228) is (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NCCNC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid?
The InChIKey is JCSWVIVXDZCCJL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-4-8(9(15)16)13-10(17)12-6-5-11-7(2)14/h8H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid?
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).