(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid

C7H10N2O4 — CID 80751293

IUPAC(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
SMILESC#CCNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-2-3-8-7(13)9-5(4-10)6(11)12/h1,5,10H,3-4H2,(H,11,12)(H2,8,9,13)/t5-/m1/s1
InChIKeyVEIALWQECAUDQR-RXMQYKEDSA-N
MW186.17 g/mol
LogP-1.64
Rot. Bonds4

About (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid

(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid (PubChem CID 80751293) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
PubChem CID80751293
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
SMILESC#CCNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-2-3-8-7(13)9-5(4-10)6(11)12/h1,5,10H,3-4H2,(H,11,12)(H2,8,9,13)/t5-/m1/s1
InChIKeyVEIALWQECAUDQR-RXMQYKEDSA-N
XLogP-1.64
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
CID 87118755
3-methyl-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 24703795
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
(2R)-3-hydroxy-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 80756456
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80751039
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300
3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 79350592

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid (CID 80751293) is (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid is C#CCNC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The InChIKey is VEIALWQECAUDQR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-3-8-7(13)9-5(4-10)6(11)12/h1,5,10H,3-4H2,(H,11,12)(H2,8,9,13)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid?
(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid is sourced from PubChem (CID 80751293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).