(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid

C6H13N3O4 — CID 121421901

IUPAC(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
SMILESNC(=O)NCCOC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-4(5(10)11)3-13-2-1-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKeyDDPYQHZVLYCNID-BYPYZUCNSA-N
MW191.19 g/mol
LogP-1.92
Rot. Bonds6

About (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid

(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid (PubChem CID 121421901) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
PubChem CID121421901
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
SMILESNC(=O)NCCOC[C@H](N)C(=O)O
InChIInChI=1S/C6H13N3O4/c7-4(5(10)11)3-13-2-1-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKeyDDPYQHZVLYCNID-BYPYZUCNSA-N
XLogP-1.92
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-1.92
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-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid
CID 177217823
(2S)-2-amino-3-[2-[[(2S)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid
CID 177217849
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
(2S)-2-amino-5-(carbamoylamino)-4,4-dideuteriopentanoic acid
CID 123785846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid (CID 121421901) is (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid is NC(=O)NCCOC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid?
The InChIKey is DDPYQHZVLYCNID-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-4(5(10)11)3-13-2-1-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid?
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid has a molecular weight of 191.19 g/mol, XLogP of -1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid is sourced from PubChem (CID 121421901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).