(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid

C11H20N4O5 — CID 62922822

IUPAC(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-11(2,3)8(9(18)19)14-10(20)15(4-6(12)16)5-7(13)17/h8H,4-5H2,1-3H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t8-/m1/s1
InChIKeyFFDHRJNMPZMBSN-MRVPVSSYSA-N
MW288.30 g/mol
LogP-1.53
Rot. Bonds6

About (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid

(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 62922822) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID62922822
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-11(2,3)8(9(18)19)14-10(20)15(4-6(12)16)5-7(13)17/h8H,4-5H2,1-3H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t8-/m1/s1
InChIKeyFFDHRJNMPZMBSN-MRVPVSSYSA-N
XLogP-1.53
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 113353148
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374
2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
(2S)-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61425891
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 102995342
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 46737712
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927908
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 103927599
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2S)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104864085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid (CID 62922822) is (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)N(CC(N)=O)CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is FFDHRJNMPZMBSN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-11(2,3)8(9(18)19)14-10(20)15(4-6(12)16)5-7(13)17/h8H,4-5H2,1-3H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t8-/m1/s1.
What are the key properties of (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid?
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 62922822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).