(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid

C9H17N3O5 — CID 106239604

IUPAC(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCCOCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-2-6(8(14)15)12-9(16)11-3-4-17-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyXHPWQZSRBPRKQF-ZCFIWIBFSA-N
MW247.25 g/mol
LogP-1.35
Rot. Bonds8

About (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid

(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid (PubChem CID 106239604) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
PubChem CID106239604
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
SMILESCC[C@@H](NC(=O)NCCOCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-2-6(8(14)15)12-9(16)11-3-4-17-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1
InChIKeyXHPWQZSRBPRKQF-ZCFIWIBFSA-N
XLogP-1.35
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-carbamoyloxyethylcarbamoylamino)butanoic acid
CID 83205276
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
(2S)-4-amino-2-[2-(3-methylbutoxy)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718851
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
2-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128613
(2S)-4-hydroxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]butanoic acid
CID 107829318
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 114162542
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]pentanedioic acid
CID 114469263
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 107567023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid (CID 106239604) is (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid is CC[C@@H](NC(=O)NCCOCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid?
The InChIKey is XHPWQZSRBPRKQF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-2-6(8(14)15)12-9(16)11-3-4-17-5-7(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,14,15)(H2,11,12,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid?
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106239604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).