[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid

C10H18N2O4 — CID 87561975

IUPAC[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
SMILESCC(C)(C)[C@H](C=O)NC(=O)CCNC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)7(6-13)12-8(14)4-5-11-9(15)16/h6-7,11H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMGNYPPDORACCNE-ZETCQYMHSA-N
MW230.26 g/mol
LogP0.37
Rot. Bonds5

About [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid

[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid (PubChem CID 87561975) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
PubChem CID87561975
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
SMILESCC(C)(C)[C@H](C=O)NC(=O)CCNC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)7(6-13)12-8(14)4-5-11-9(15)16/h6-7,11H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyMGNYPPDORACCNE-ZETCQYMHSA-N
XLogP0.37
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid (CID 87561975) is [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid is CC(C)(C)[C@H](C=O)NC(=O)CCNC(=O)O.
What is the InChIKey of [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid?
The InChIKey is MGNYPPDORACCNE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)7(6-13)12-8(14)4-5-11-9(15)16/h6-7,11H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t7-/m0/s1.
What are the key properties of [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid?
[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid has a molecular weight of 230.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 87561975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).