1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea

C5H11N3O3 — CID 97178553

IUPAC1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea
SMILESCNC(=O)NNC(=O)[C@H](C)O
InChIInChI=1S/C5H11N3O3/c1-3(9)4(10)7-8-5(11)6-2/h3,9H,1-2H3,(H,7,10)(H2,6,8,11)/t3-/m0/s1
InChIKeyLZFMDODPUNNXHO-VKHMYHEASA-N
MW161.16 g/mol
LogP-1.67
Rot. Bonds1

About 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea

1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea (PubChem CID 97178553) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea.

Molecular Properties

Compound Name1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea
PubChem CID97178553
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea
SMILESCNC(=O)NNC(=O)[C@H](C)O
InChIInChI=1S/C5H11N3O3/c1-3(9)4(10)7-8-5(11)6-2/h3,9H,1-2H3,(H,7,10)(H2,6,8,11)/t3-/m0/s1
InChIKeyLZFMDODPUNNXHO-VKHMYHEASA-N
XLogP-1.67
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea?
The IUPAC name of 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea (CID 97178553) is 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea.
What is the SMILES notation for 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea?
The canonical SMILES for 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea is CNC(=O)NNC(=O)[C@H](C)O.
What is the InChIKey of 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea?
The InChIKey is LZFMDODPUNNXHO-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N3O3/c1-3(9)4(10)7-8-5(11)6-2/h3,9H,1-2H3,(H,7,10)(H2,6,8,11)/t3-/m0/s1.
What are the key properties of 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea?
1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea has a molecular weight of 161.16 g/mol, XLogP of -1.67, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea is sourced from PubChem (CID 97178553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).