(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid

C10H21N3O3 — CID 61184562

IUPAC(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
SMILESCCN(CC)CCNC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-4-13(5-2)7-6-11-10(16)12-8(3)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)/t8-/m0/s1
InChIKeyROSDXZCLEHZHNU-QMMMGPOBSA-N
MW231.30 g/mol
LogP0.10
Rot. Bonds7

About (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid

(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid (PubChem CID 61184562) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
PubChem CID61184562
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
SMILESCCN(CC)CCNC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-4-13(5-2)7-6-11-10(16)12-8(3)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)/t8-/m0/s1
InChIKeyROSDXZCLEHZHNU-QMMMGPOBSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-[4-(dimethylamino)butylcarbamoylamino]propanoic acid
CID 78979186
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
CID 106722813
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid (CID 61184562) is (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid is CCN(CC)CCNC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid?
The InChIKey is ROSDXZCLEHZHNU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-13(5-2)7-6-11-10(16)12-8(3)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid?
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid has a molecular weight of 231.30 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61184562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).